7CBI
Crystal structure of threonyl-tRNA synthetase (ThrRS) from Salmonella enterica in complex with an inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-12-23 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 86.077, 101.162, 103.548 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 72.360 - 1.590 |
| R-factor | 0.18901 |
| Rwork | 0.188 |
| R-free | 0.20754 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6l2q |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.197 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 72.360 | 1.650 |
| High resolution limit [Å] | 1.590 | 1.590 |
| Rmerge | 0.063 | 0.240 |
| Number of reflections | 121233 | 11978 |
| <I/σ(I)> | 27.3 | 5.7 |
| Completeness [%] | 99.7 | |
| Redundancy | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.24 M lithium acetate pH 7.5, 18% PEG 3350 |
